7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C25H22FN7O5 — CID 143587565

IUPAC7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC1c2[nH]c(=O)oc2C=CC1CNC(=O)c1cc(C(=O)NCc2ccc(C(N)=O)c(F)c2)n2nccc2n1
InChIInChI=1S/C25H22FN7O5/c1-12-14(3-5-19-21(12)32-25(37)38-19)11-29-23(35)17-9-18(33-20(31-17)6-7-30-33)24(36)28-10-13-2-4-15(22(27)34)16(26)8-13/h2-9,12,14H,10-11H2,1H3,(H2,27,34)(H,28,36)(H,29,35)(H,32,37)
InChIKeyUJDWAKLWXOYACG-UHFFFAOYSA-N
MW519.49 g/mol
LogP1.36
Rot. Bonds7

About 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143587565) has the molecular formula C25H22FN7O5 and a molecular weight of 519.49 g/mol. Its IUPAC name is 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143587565
Molecular FormulaC25H22FN7O5
Molecular Weight519.49 g/mol
Exact Mass519.17
IUPAC Name7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC1c2[nH]c(=O)oc2C=CC1CNC(=O)c1cc(C(=O)NCc2ccc(C(N)=O)c(F)c2)n2nccc2n1
InChIInChI=1S/C25H22FN7O5/c1-12-14(3-5-19-21(12)32-25(37)38-19)11-29-23(35)17-9-18(33-20(31-17)6-7-30-33)24(36)28-10-13-2-4-15(22(27)34)16(26)8-13/h2-9,12,14H,10-11H2,1H3,(H2,27,34)(H,28,36)(H,29,35)(H,32,37)
InChIKeyUJDWAKLWXOYACG-UHFFFAOYSA-N
XLogP1.36
TPSA177.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.49
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
1-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25509134
tert-butyl N-[3-[[6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propyl]carbamate
CID 134800707
tert-butyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate
CID 141631066
6-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465593
6-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465605
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465607
6-[4-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465622
6-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465641
7-Ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040811
7-ethyl-N~5~-(4-fluorobenzyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040817
7-Ethyl-N-(5-fluoro-2-methylphenyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040818

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143587565) is 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC1c2[nH]c(=O)oc2C=CC1CNC(=O)c1cc(C(=O)NCc2ccc(C(N)=O)c(F)c2)n2nccc2n1.
What is the InChIKey of 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is UJDWAKLWXOYACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O5/c1-12-14(3-5-19-21(12)32-25(37)38-19)11-29-23(35)17-9-18(33-20(31-17)6-7-30-33)24(36)28-10-13-2-4-15(22(27)34)16(26)8-13/h2-9,12,14H,10-11H2,1H3,(H2,27,34)(H,28,36)(H,29,35)(H,32,37).
What are the key properties of 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 519.49 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143587565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).